COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK785372
Chemical Name: 2-amino-1-(3-bromophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2cccc(c2)Br)C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CC(C2)(C)C

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Molecular Weight: 499.39
Empirical Formula: C22H19BrN4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.754
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 144
Number of rings: 4

     

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